2-Methylvaleric Acid 2-甲基正戊酸

CAS 97-61-0 MFCD00002671

化学结构图

97-61-0
SMILES: CCCC(C)C(=O)O

化学属性

Mol. FormulaC6H12O2
Mol. Weight116.16
Refractive index1.4120 to 1.4160
Boiling Point196-197°C at 760 mmHg
Density0.931
Flash Point91°C
TSCAYes
Melting Point-85 °C
Appearance 无色至淡黄色液体。呈焦糖和刺激性辣味。沸点196~197℃。溶于乙醇。

别名和识别编码

Chemical Name2-Methylvaleric Acid
MDL NumberMFCD00002671
CAS Number97-61-0
Synonym 2-Methylvaleric acid {LY} 2-Methylvaleric acid {} {LY} 2-Methylvaleric acid {} {} {LY} 2-Methylvaleric acid {} {} {} {LY} 2-Methylvaleric acid {} {} {} {} {LY} 2-Methylvaleric acid {} {} {} {} {} {LY} 2-Methylvaleric acid {} {} {} {} {} {} {LY} 2-Methylvaleric acid {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} 2-Methylvaleric acid {} {} {} {} {} {} {} {} {LY} 2-Methylvaleric acid {} {} {} {} {} {} {} {} {} {LY} 2-Methylvaleric acid {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylvaleric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylvaleric acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylvaleric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylvaleric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylvaleric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylvaleric acid
PubChem Substance ID7341
EC Number202-594-9
Beilstein Registry Number1720655
Chemical Name Translation2-甲基正戊酸
Reaxys-RN1720655
InChIKeyOVBFMEVBMNZIBR-UHFFFAOYSA-N
Wiswesser Line NotationQVY3&1
LabNetwork Molecule IDLN00219765
InChIInChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
Canonical SMILESCCCC(C)C(O)=O
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分类

  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, I-N, Kosher Certified Products, L-M, M-N
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, I - N, I-N, Kosher Certified Products, L-M, M-N
  • {uni_hamburg} no charge; carboxylic acid; racemate; 1fragment
  • {SA} Building Blocks, C6, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SNA} Alphabetical Listings, Certified Food Grade Pr

产品应用

  • 可用于芝士、咖啡香精的调配。

相关文献及参考

  • [2]. StoneSá, et al. Phytochemistry and antimicrobial activity of Campomanesia adamantium. Revista Brasileira de Farmacognosia. Volume 28, Issue 3, May–June 2018, Pages 303-311
  • [3]. Menghan Li, et al. A sensitive method for the quantification of short-chain fatty acids by benzyl chloroformate derivatization combined with GC-MS. Analyst. 2020 Apr 7;145(7):2692-2700.
  • Beilstein:2(4)942
  • Short: EINECS
  • Short: III/38B
  • Short: IV/8I
  • [1]. CHARLOTTE P. BRENNAND, et al. AROMA PROPERTIES AND THRESHOLDS OF SOME BRANCHED‐CHAIN AND OTHER MINOR VOLATILE FATTY ACIDS OCCURRING IN MILKFAT AND MEAT LIPIDS1. September 1989.
  • [1]. CHARLOTTE P. BRENNAND, et al. AROMA PROPERTIES AND THRESHOLDS OF SOME BRANCHED‐CHAIN AND OTHER MINOR VOLATILE FATTY ACIDS OCCURRING IN MILKFAT AND MEAT LIPIDS1. September 1989.
  • [2]. StoneSá, et al. Phytochemistry and antimicrobial activity of Campomanesia adamantium. Revista Brasileira de

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H290 May be corrosive to metals 可能腐蚀金属。
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSYV7700000
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P330+P331
  • P303+P361+P353+P310+P363
  • P304+P340
  • P305+P351+
  • P305+P351+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P390 Absorb spillage to prevent material damage. 吸收溢出物,防止重大损害。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Packing GroupII
UN Number 3265 UN 3265 8/PG 2 UN3265
Risk Statements
  • R34 Causes burns 会导致灼伤
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
Hazard Codes 8 C
Hazard Class8
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   20,763,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2040 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 10,61,1954

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 香料香精应用:2-甲基戊酸又称为甲基丙基醋酸、α-甲基戊酸、戊烷-2-羧酸,溶于水与乙醇和某些精油混溶。在室温时为固体,高于室温为无色液体。香气:强烈的刺激性的辛辣气味,浓度较大时呈酸味。微量用于食用香精,在仿制可可和巧克力香精时,主要用作生产酯类的原料。可由2-甲基戊醛催化而制备也可由2-氯代戊烷与钠和二氧化碳在压力下而制备。
  • FEMA:2754
  • Alfa Aesar:2-甲基戊酸,98+% 2-Methylvaleric acid, 98+%(97-61-0)
  • 2-甲基戊酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0610 2-甲基戊酸 2-Methylvaleric Acid 500ML 960元 2014/06/02 M0610 2-甲基戊酸 2-Methylvaleric Acid 25ML 187元 2010/06/21 351890050 2-甲基戊酸 2-Methylvaleric acid 98% 5 ML 452元
  • Acros Organics:2-甲基戊酸 2-Methylvaleric acid, 98%(97-61-0)
  • 参考质量标准:FCC,1996;FAO/WHO,1998 含量 ≥98.0% 折射率 1.411~1.416 相对密度 0.919~0.922 醇中溶解度 lml溶于lmL 95%乙醇
  • 毒性:GRAS(FEMA;FDA,§172.515,2000)。
  • 用途一:FEMA(mg/kg):糖果0.80。 适度为限(FDA,§172.515,2000)。
  • TCI Shanghai:2-甲基正戊酸 2-Methylvaleric Acid,>;98.0%(GC)(T)(97-61-0)
  • MOL 文件:97-61-0.mol
  • 含量分析:准确称取试样约2.0g,移入一盛有75~100ml水的三角烧瓶中,加酚酞指示剂(TS-167),用0.5mol/L NaOH进行滴定。每毫升0.5mol/L NaOH相当于2-甲基戊酸58.08mg。
  • 方法一:丙醛在稀碱催化下进行羟醛缩合,再脱羟、氢化、氧化而成。
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量(g/kg) 最大允许残留量(g/kg) 2-甲基戊酸 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • 图谱信息:2-甲基戊酸(97-61-0)红外图谱(IR1) 2-甲基戊酸(97-61-0)Raman光谱 2-甲基戊酸(97-61-0)质谱(MS) 2-甲基戊酸(97-61-0)红外图谱(IR2)
  • Sigma Aldrich:97-61-0(sigmaaldrich)
  • 用途二:可用于芝士、咖啡香精的调配。

系列性分类


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